HCID3619024

1-(Bromomethyl)-4-pentylcyclohexane

C12H23Br247.21 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCC1CCC(CBr)CC1
InChIKey: HXOWMHXGHNZDFT-UHFFFAOYSA-N
分子式: C12H23Br
平均分子量: 247.21 g/mol
单同位素质量: 246.09831

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 114

ALIASES

名称与别名

共 11 条

1-(bromomethyl)-4-pentylcyclohexane477860-15-4trans-1-(bromomethyl)-4-pentylcyclohexaneSCHEMBL2211287SCHEMBL2905791HXOWMHXGHNZDFT-HAQNSBGRSA-Nbromo-trans-4-pentylcyclohexylmethanetrans-4-pentylcyclohexylmethyl bromide(trans-4-pentylcyclohexyl)bromomethaneAKOS00508099212N-247

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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